4-amino-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide

C14H21ClN2OS — CID 103812552

IUPAC4-amino-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide
SMILESCCC(CC)(CNC(=O)c1ccc(N)cc1Cl)SC
InChIInChI=1S/C14H21ClN2OS/c1-4-14(5-2,19-3)9-17-13(18)11-7-6-10(16)8-12(11)15/h6-8H,4-5,9,16H2,1-3H3,(H,17,18)
InChIKeyVATAQQAXHLTNDC-UHFFFAOYSA-N
MW300.85 g/mol
LogP3.57
Rot. Bonds6

About 4-amino-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide

4-amino-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide (PubChem CID 103812552) has the molecular formula C14H21ClN2OS and a molecular weight of 300.85 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide
PubChem CID103812552
Molecular FormulaC14H21ClN2OS
Molecular Weight300.85 g/mol
Exact Mass300.11
IUPAC Name4-amino-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide
SMILESCCC(CC)(CNC(=O)c1ccc(N)cc1Cl)SC
InChIInChI=1S/C14H21ClN2OS/c1-4-14(5-2,19-3)9-17-13(18)11-7-6-10(16)8-12(11)15/h6-8H,4-5,9,16H2,1-3H3,(H,17,18)
InChIKeyVATAQQAXHLTNDC-UHFFFAOYSA-N
XLogP3.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.85
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide;hydrochloride
CID 119709087
4-amino-2-chloro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 110464984
4-amino-2-chloro-N-ethylbenzamide;hydrochloride
CID 47000809
5-bromo-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide
CID 103709313
4-amino-2-chloro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79552037
4-amino-N-(2-amino-2-oxoethyl)-2-chlorobenzamide
CID 16775677
methyl 3-[(4-amino-2-chlorobenzoyl)amino]-2,2-dimethylpropanoate;hydrochloride
CID 119789369
2-amino-N-(2-ethyl-2-methylsulfanylbutyl)benzamide
CID 103822118
4-amino-2-chloro-N-(2-methylbutan-2-yl)benzamide
CID 16771675
4-amino-2-chloro-N-(2-ethylbutyl)benzamide
CID 115738201
4-amino-2-chloro-N-(3-methylsulfanylbutyl)benzamide
CID 115739020
N-(2-ethyl-2-methylsulfanylbutyl)-2-fluoro-5-methylbenzamide
CID 113245162

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide?
The IUPAC name of 4-amino-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide (CID 103812552) is 4-amino-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide?
The canonical SMILES for 4-amino-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide is CCC(CC)(CNC(=O)c1ccc(N)cc1Cl)SC.
What is the InChIKey of 4-amino-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide?
The InChIKey is VATAQQAXHLTNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2OS/c1-4-14(5-2,19-3)9-17-13(18)11-7-6-10(16)8-12(11)15/h6-8H,4-5,9,16H2,1-3H3,(H,17,18).
What are the key properties of 4-amino-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide?
4-amino-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide has a molecular weight of 300.85 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide is sourced from PubChem (CID 103812552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).